| SpectraBase Compound ID | 9q158AwLRBE |
|---|---|
| InChI | InChI=1S/C22H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-25-22(23)20-16-15-17-21(19-20)24-2/h15-17,19H,3-14,18H2,1-2H3 |
| InChIKey | CNNXRCQRDHZSQL-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C22H36O3 |
| Exact Mass | 348.266445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EsQLwGRMQYV |
|---|---|
| Name | m-Methoxybenzoic acid, tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.266445016 u |
| Formula | C22H36O3 |
| InChI | InChI=1S/C22H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-25-22(23)20-16-15-17-21(19-20)24-2/h15-17,19H,3-14,18H2,1-2H3 |
| InChIKey | CNNXRCQRDHZSQL-UHFFFAOYSA-N |
| Molecular Weight | 348.527 g/mol |
| SMILES | C(=O)(OCCCCCCCCCCCCCC)C=1C=C(OC)C=CC1 |